3,3,3-trifluoro-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]propane-1-sulfonamide

C15H23F3N6O3S — CID 122255164

IUPAC3,3,3-trifluoro-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]propane-1-sulfonamide
SMILESO=S(=O)(CCC(F)(F)F)NCc1nc(N2CCCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C15H23F3N6O3S/c16-15(17,18)3-10-28(25,26)19-11-12-20-13(23-4-1-2-5-23)22-14(21-12)24-6-8-27-9-7-24/h19H,1-11H2
InChIKeyIFEISPVTULTXQA-UHFFFAOYSA-N
MW424.45 g/mol
LogP0.68
Rot. Bonds7

About 3,3,3-trifluoro-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]propane-1-sulfonamide

3,3,3-trifluoro-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]propane-1-sulfonamide (PubChem CID 122255164) has the molecular formula C15H23F3N6O3S and a molecular weight of 424.45 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]propane-1-sulfonamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]propane-1-sulfonamide
PubChem CID122255164
Molecular FormulaC15H23F3N6O3S
Molecular Weight424.45 g/mol
Exact Mass424.15
IUPAC Name3,3,3-trifluoro-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]propane-1-sulfonamide
SMILESO=S(=O)(CCC(F)(F)F)NCc1nc(N2CCCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C15H23F3N6O3S/c16-15(17,18)3-10-28(25,26)19-11-12-20-13(23-4-1-2-5-23)22-14(21-12)24-6-8-27-9-7-24/h19H,1-11H2
InChIKeyIFEISPVTULTXQA-UHFFFAOYSA-N
XLogP0.68
TPSA100.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.45
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3,3,3-trifluoro-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]propane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3,3-trifluoro-N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]propane-1-sulfonamide
CID 122253361
2-chloro-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzenesulfonamide
CID 122255045
N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-2-sulfonamide
CID 122255050
N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]acetamide
CID 122254955
2-cyano-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzenesulfonamide
CID 121138161
5-ethyl-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-2-sulfonamide
CID 122255149
N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]cyclopropanecarboxamide
CID 122255008
2-methoxy-5-methyl-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzenesulfonamide
CID 122255042
N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]ethanesulfonamide
CID 122253482
N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-1-(2-fluorophenyl)methanesulfonamide
CID 122254931
2-fluoro-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzamide
CID 121016914
2-(2,6-dioxopiperidin-1-yl)-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]ethanesulfonamide
CID 122319174

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]propane-1-sulfonamide?
The IUPAC name of 3,3,3-trifluoro-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]propane-1-sulfonamide (CID 122255164) is 3,3,3-trifluoro-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]propane-1-sulfonamide.
What is the SMILES notation for 3,3,3-trifluoro-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]propane-1-sulfonamide?
The canonical SMILES for 3,3,3-trifluoro-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]propane-1-sulfonamide is O=S(=O)(CCC(F)(F)F)NCc1nc(N2CCCC2)nc(N2CCOCC2)n1.
What is the InChIKey of 3,3,3-trifluoro-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]propane-1-sulfonamide?
The InChIKey is IFEISPVTULTXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N6O3S/c16-15(17,18)3-10-28(25,26)19-11-12-20-13(23-4-1-2-5-23)22-14(21-12)24-6-8-27-9-7-24/h19H,1-11H2.
What are the key properties of 3,3,3-trifluoro-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]propane-1-sulfonamide?
3,3,3-trifluoro-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]propane-1-sulfonamide has a molecular weight of 424.45 g/mol, XLogP of 0.68, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]propane-1-sulfonamide is sourced from PubChem (CID 122255164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).